ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate

C15H17N3O4 — CID 171703972

IUPACethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)C1=NNC(=O)CC1)c1ccccc1
InChIInChI=1S/C15H17N3O4/c1-2-22-14(20)10-18(11-6-4-3-5-7-11)15(21)12-8-9-13(19)17-16-12/h3-7H,2,8-10H2,1H3,(H,17,19)
InChIKeyDIZWNBFMIWDJKN-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.85
Rot. Bonds5

About ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate

ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate (PubChem CID 171703972) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate
PubChem CID171703972
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)C1=NNC(=O)CC1)c1ccccc1
InChIInChI=1S/C15H17N3O4/c1-2-22-14(20)10-18(11-6-4-3-5-7-11)15(21)12-8-9-13(19)17-16-12/h3-7H,2,8-10H2,1H3,(H,17,19)
InChIKeyDIZWNBFMIWDJKN-UHFFFAOYSA-N
XLogP0.85
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]acetate
CID 55003937
ethyl 2-(N-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355319
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7195054
N-ethyl-6-oxo-N-(thiophen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60655606
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
N-methyl-6-oxo-N-pyridin-2-yl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582825
ethyl 2-(N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]anilino)acetate
CID 55547450
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-nitrocyclopropane-1-carboxylate
CID 55999838
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60959401
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
CID 55324833
methyl 3-[methyl-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoate
CID 54979984
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate?
The IUPAC name of ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate (CID 171703972) is ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate?
The canonical SMILES for ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate is CCOC(=O)CN(C(=O)C1=NNC(=O)CC1)c1ccccc1.
What is the InChIKey of ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate?
The InChIKey is DIZWNBFMIWDJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-22-14(20)10-18(11-6-4-3-5-7-11)15(21)12-8-9-13(19)17-16-12/h3-7H,2,8-10H2,1H3,(H,17,19).
What are the key properties of ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate?
ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate has a molecular weight of 303.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)anilino)acetate is sourced from PubChem (CID 171703972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).